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Hi all, I work for a small start-up biotech and we want to determine
octanol-water partition coefficients for some of our compounds. Does
anyone have a protocol that you could suggest?
Thanks,
Alene
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The following message was posted to: PharmPK
Dear Alene,
You might consider in silico predictions. The accuracy is now
approaching
experimental error (RMSE on the order of 0.2-0.3).
Of course, if you use ADMET Predictor(tm), along with the logP
predictions
you could also get a host of others, including pKa(s), logD (at your
specified pH) solubility, permeability, pharmacokinetic parameters, CYP
metabolism, and a number potential toxicities. And you can get these
results
at the rate of thousand of compounds per minute, with no cleanup
afterwards!
Best regards,
Walt
Walt Woltosz
Chairman & CEO
Simulations Plus, Inc. (NASDAQ: SLP)
42505 10th Street West
Lancaster, CA 93534-7059
U.S.A.
http://www.simulations-plus.com
E-mail: walt.-a-.simulations-plus.com
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Dear Alene
You can refer to OECD guidelines no. 117 and 107 for determining
partition coefficient experimentally.
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